Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL789811 | 0.98 | ERN1 (0.57) | ERN1TDP1TSHRCYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL29956054 | 0.96 | ERN1 (0.55) | ERN1TDP1TSHRCYP3A4ALOX15 | |
| Alcohol SCHEMBL28369215 | 0.87 | ERN1 (0.52) | ERN1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL4357334 | 0.81 | TDP1 (0.70) | ERN1TDP1ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL3208051 | 0.80 | TDP1 (0.61) | ERN1TDP1TSHRCYP3A4ALOX15 | |
| Water SCHEMBL28578537 | 0.79 | TDP1 (0.67) | ERN1TDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL24630268 | 0.76 | CYP3A4 (0.52) | ERN1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL27472917 | 0.76 | ALDH1A1 (0.52) | ERN1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL42560 | 0.75 | TDP1 (0.67) | ERN1TDP1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL9404722 | 0.75 | TDP1 (0.48) | ERN1TDP1TSHRCYP3A4ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |